trachelosperogenin B | 109742-53-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: trachelosperogenin B
• 英文别名: (1R,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-1,10,11-trihydroxy-9,9-bis(hydroxymethyl)-1,2,6a,6b,12a-pentamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
• CAS: 109742-53-2
• 化学式: C₃₀H₄₈O₇
• 分子量: 520.707
• InChiKey: RIFJXBJHRYLRKR-YTOUHQNPSA-N

物化性质

• 熔点：
  248-252 °C(Solv: methanol (67-56-1))
• 沸点：
  676.8±55.0 °C(Predicted)
• 密度：
  1.28±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  37
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  138
• 氢给体数：
  6
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  trachelosperogenin B 以 吡啶 、 甲醇 、 乙醚 为溶剂， 反应 5.0h， 生成 (1R,2R,4aS,6aS,6bR,8aR,10R,11R,12aR,12bR,14bS)-10,11-Diacetoxy-9,9-bis-acetoxymethyl-1-hydroxy-1,2,6a,6b,12a-pentamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picene-4a-carboxylic acid methyl ester
  参考文献：
  名称：

  Abe, Fumiko; Yamauchi, Tatsuo, Chemical and pharmaceutical bulletin, 1987, vol. 35, # 5, p. 1748 - 1754

  摘要：

  DOI：
• 作为产物：
  描述：

  4-O-methyl 8a-O-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2R,3R,4R,4aR,6aR,6bS,8aS,11R,12R,12aS,14aR,14bR)-2,3,12-trihydroxy-4-(hydroxymethyl)-6a,6b,11,12,14b-pentamethyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylate 在 cellulase 作用下， 以 乙醇 、 水 为溶剂， 反应 10.0h， 生成 trachelosperogenin B
  参考文献：
  名称：

  Abe, Fumiko; Yamauchi, Tatsuo, Chemical and pharmaceutical bulletin, 1987, vol. 35, # 5, p. 1748 - 1754

  摘要：

  DOI：

文献信息

• Triterpenes and Saponins from <i>Rudgea viburnioides</i>
  作者：M. Claudia M. Young、Angela R. Araújo、Cristhiane A. da Silva、Marcia N. Lopes、Ligia M. V. Trevisan、Vanderlan da S. Bolzani

  DOI：10.1021/np9704617

  日期：1998.7.1

  A novel triterpene, viburgenin (1), has been isolated from an extract of the ripe fruit rinds of Rudgea viburnioides, together with the known saponins, arjunglucoside I and trachelosperosides B-1 and E-1, and the triterpenes trachelosperogenin B (2) and arjungenin. Compound 2 was previously obtained as a product from enzymatic hydrolysis, and it is reported for the first time as a natural product. The structure of compound 1 was determined as 2 alpha,3 beta,19 alpha,23,24-pentahydroxyurs-12-ene by extensive use of 1D and 2D NMR spectroscopic methods. Compound 1 exhibited moderate antifungal activity against Cladosporium cladosporioides.